(1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C19H19BrFN3 — CID 143518647

IUPAC(1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(Cc1nc2cccc(F)n2c1Br)[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H19BrFN3/c1-23(16-9-4-7-13-6-2-3-8-14(13)16)12-15-19(20)24-17(21)10-5-11-18(24)22-15/h2-3,5-6,8,10-11,16H,4,7,9,12H2,1H3/t16-/m0/s1
InChIKeyDJQFRQIJPDOPBS-INIZCTEOSA-N
MW388.28 g/mol
LogP4.75
Rot. Bonds3

About (1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 143518647) has the molecular formula C19H19BrFN3 and a molecular weight of 388.28 g/mol. Its IUPAC name is (1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID143518647
Molecular FormulaC19H19BrFN3
Molecular Weight388.28 g/mol
Exact Mass387.07
IUPAC Name(1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(Cc1nc2cccc(F)n2c1Br)[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H19BrFN3/c1-23(16-9-4-7-13-6-2-3-8-14(13)16)12-15-19(20)24-17(21)10-5-11-18(24)22-15/h2-3,5-6,8,10-11,16H,4,7,9,12H2,1H3/t16-/m0/s1
InChIKeyDJQFRQIJPDOPBS-INIZCTEOSA-N
XLogP4.75
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 143518647) is (1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CN(Cc1nc2cccc(F)n2c1Br)[C@H]1CCCc2ccccc21.
What is the InChIKey of (1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DJQFRQIJPDOPBS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19BrFN3/c1-23(16-9-4-7-13-6-2-3-8-14(13)16)12-15-19(20)24-17(21)10-5-11-18(24)22-15/h2-3,5-6,8,10-11,16H,4,7,9,12H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 388.28 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 143518647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).